SCHEMBL905099

SCHEMBL905099

C=CC(=O)NC(C)(C)CC(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 1/20 0.32
TGM2 P21980 2/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL905100 0.85 MEN1 (0.42) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL15132324 0.84
SCHEMBL905087 0.78 TGFBR1 (0.33)
SCHEMBL10000900 0.77 CYP3A4 (0.45) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL15132220 0.77 CA1 (0.35)
SCHEMBL15132212 0.75 RIPK1 (0.31)
SCHEMBL9865067 0.75 ALDH1A1 (0.46) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL1073217 0.74 ALDH1A1 (0.49) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL905076 0.73 TSHR (0.42) ALDH1A1TSHRTGM2
Hydrochloric Acid SCHEMBL9801852 0.73 ALDH1A1 (0.45) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9171655-B2 Solid electrolyte film, and method for producing same CENTRAL GLASS COMPANY, LIMITED (JP) 2015-10-27 US disclosed
US-9171655-B2 Solid electrolyte film, and method for producing same CENTRAL GLASS COMPANY, LIMITED (JP) 2015-10-27 US disclosed
EP-2622960-A1 ANTIBACTERIAL AGENT, SUBSTRATE SURFACE TREATMENT METHOD USING THE SAME, ANTIBACTERIAL AGENT COMPOSITION, AND SUBSTRATE SURFACE TREATMENT METHOD USING THE SAME Central Glass Company, Limited (JP) 2013-08-07 EP disclosed
US-20120301811-A1 Solid Electrolyte Film, and Method for Producing Same CENTRAL GLASS COMPANY, LIMITED (JP) 2012-11-29 US disclosed
WO-2012043619-A1 ANTIBACTERIAL AGENT, SUBSTRATE SURFACE TREATMENT METHOD USING THE SAME, ANTIBACTERIAL AGENT COMPOSITION, AND SUBSTRATE SURFACE TREATMENT METHOD USING THE SAME セントラル硝子株式会社 (JP) 2012-04-05 WO disclosed